对氯邻甲苯胺盐酸盐
TL;DR: 对氯邻甲苯胺盐酸盐 (CAS 3165-93-3) is a chemical compound with molecular formula C7H9Cl2N and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氯邻甲苯胺盐酸盐
4-chloro-2-methylaniline;hydrochloride
Also Known As: 4-Chloro-2-methylaniline hydrochloride, Kromon Green B, Devol Red TR, Devol Red K, Neutrosel Red TRVA
| Molecular Formula | C7H9Cl2N |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | 2.65 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.0112 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
| Melting Point | 198 to 93.9 °C (decomposes) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.04 [mmHg] |
Chemical Identifiers
| CAS Number | 3165-93-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N.Cl |
| InChIKey | VKYZDCTWJGBFDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氯邻甲苯胺盐酸盐 (CAS 3165-93-3), with molecular formula C7H9Cl2N and molecular weight 177.01 g/mol. IUPAC: 4-chloro-2-methylaniline;hydrochloride.
Chemical Property Profile of 对氯邻甲苯胺盐酸盐
Property Insights of 对氯邻甲苯胺盐酸盐
The XLogP value of 2.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氯邻甲苯胺盐酸盐. With a topological polar surface area (TPSA) of 26.0 Ų, 对氯邻甲苯胺盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氯邻甲苯胺盐酸盐 has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 对氯邻甲苯胺盐酸盐?
The CAS number of 对氯邻甲苯胺盐酸盐 is 3165-93-3.
What is the molecular formula of 对氯邻甲苯胺盐酸盐?
The molecular formula of 对氯邻甲苯胺盐酸盐 is C7H9Cl2N.
What is the molecular weight of 对氯邻甲苯胺盐酸盐?
The molecular weight of 对氯邻甲苯胺盐酸盐 is 177.01 g/mol.
Where can I buy 对氯邻甲苯胺盐酸盐?
You can request a quote for 对氯邻甲苯胺盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯邻甲苯胺盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 对氯邻甲苯胺盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.